3-[2-[[5-[[3,5-bis(piperidin-1-ylcarbonyl)phenoxy]sulfinylamino]-2-methyl-phenoxy]sulfinylamino]cyclohexyl]-6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazole

Systemtic Name: 3-[2-[[5-[[3,5-bis(piperidin-1-ylcarbonyl)phenoxy]sulfinylamino]-2-methyl-phenoxy]sulfinylamino]cyclohexyl]-6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazole Openeye Name: 3-[2-[[5-[[3,5-bis(piperidine-1-carbonyl)phenoxy]sulfinylamino]-2-methyl-phenoxy]sulfinylamino]cyclohexyl]-6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazole CAS Name: 3-[2-[[5-[[3,5-bis[oxo(1-piperidinyl)methyl]phenoxy]sulfinylamino]-2-methylphenoxy]sulfinylamino]cyclohexyl]-6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazole IUPAC Name: 3-[2-[[5-[[3,5-bis(piperidine-1-carbonyl)phenoxy]sulfinylamino]-2-methylphenoxy]sulfinylamino]cyclohexyl]-6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazole Traditional Name: 3-[2-[[5-[[3,5-bis(piperidine-1-carbonyl)phenoxy]sulfinylamino]-2-methyl-phenoxy]sulfinylamino]cyclohexyl]-6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazole Formula: C39H52N8O6S2 MolecularWeight: 793.01018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)OC2=CC(=CC(=C2)C(=O)N3CCCCC3)C(=O)N4CCCCC4)OS(=O)NC5CCCCC5C6=NN=C7N6NC(=C7)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)OC2=CC(=CC(=C2)C(=O)N3CCCCC3)C(=O)N4CCCCC4)OS(=O)NC5CCCCC5C6=NN=C7N6NC(=C7)C(C)(C)C

InChI

InChI=1S/C39H52N8O6S2/c1-26-15-16-29(24-33(26)53-55(51)44-32-14-8-7-13-31(32)36-41-40-35-25-34(39(2,3)4)42-47(35)36)43-54(50)52-30-22-27(37(48)45-17-9-5-10-18-45)21-28(23-30)38(49)46-19-11-6-12-20-46/h15-16,21-25,31-32,42-44H,5-14,17-20H2,1-4H3